Reviews in Computational Chemistry / Edition 1

This volume, like those prior to it, features pedagogically driven reviews by experts in various fields of computational chemistry. Volume 25 contains: eight chapters covering the glass transition in polymer melts, atomistic modeling of friction, the computation of free volume, structural order and entropy of liquids and glasses, the reactivity of materials at extreme

Overview

This volume, like those prior to it, features pedagogically driven reviews by experts in various fields of computational chemistry. Volume 25 contains: eight chapters covering the glass transition in polymer melts, atomistic modeling of friction, the computation of free volume, structural order and entropy of liquids and glasses, the reactivity of materials at extreme conditions, magnetic properties of transition metal clusters, multiconfigurational quantum methods for the treatment of heavy metals, recursive solutions to large eigenvalue problems, and the development and uses of artificial intelligence in chemistry.